orbital_charges     :real:2:4,3
  0.189404748215076E+001  0.131301196360867E+001  0.128733888214243E+001
  0.200000000000000E+001  0.735827787222220E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.769773884875919E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
 -0.176513637734967E-001  0.183137129803159E+000 -0.319825162678795E-002
  0.614022657767201E-002 -0.955087949388153E-001 -0.394018109503498E-001
  0.377202598390458E-002 -0.923533486341146E-001  0.402962459947616E-001
forces_ext_charges  :real:2:3,2
  0.118623591285540E-002  0.695045328359169E-002 -0.242761119926996E-002
  0.655287529906468E-002 -0.222543951382128E-002  0.473142778164606E-002
mermin_energy       :real:0:
 -0.398548033919583E+001
end_coords          :real:2:3,3
  0.000000000000000E+000 -0.188972598857892E+001  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.147977639152057E+001
  0.000000000000000E+000  0.000000000000000E+000 -0.147977639152057E+001
